HMDB0240481 RDKit 3D Atractyligenin 2-glucuronide 71 75 0 0 0 0 0 0 0 0999 V2000 -4.9167 2.4705 -1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6116 1.7566 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 0.2831 -0.9271 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6072 -0.4126 -0.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 0.1270 0.3760 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7584 -1.2488 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 -2.2434 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -1.6636 0.0503 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3033 -2.6269 0.1752 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7021 -3.9175 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 -4.3083 1.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 -4.7481 0.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 -2.1135 0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.7163 0.5481 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2617 -0.7076 -0.4611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 -0.1360 -0.0153 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7455 0.9308 -0.8362 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 1.7179 -0.2654 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0762 2.8010 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 2.8651 -2.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 3.7463 -0.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 0.9091 0.0607 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2069 0.8050 1.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -0.4942 -0.5003 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9865 -0.4247 -1.8856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 -1.1594 -0.0604 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8239 -1.7128 1.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 0.1662 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 -0.3213 0.7364 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1803 -0.3949 2.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 0.6196 0.1572 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9306 1.9976 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 2.9424 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4222 2.3127 0.4260 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4493 1.0445 1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0437 2.0216 -2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0546 3.5624 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7911 -0.0460 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9868 -0.4710 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -1.6289 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 -1.1799 2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -2.8733 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 -2.9532 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 -1.3910 -1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 -2.9353 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3044 -5.2544 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -2.2514 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -2.7764 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 -0.2582 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 0.1766 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3895 2.1477 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 4.2396 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 1.3865 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 0.5935 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7159 -1.0817 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7289 -1.3190 -2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3137 -1.9088 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3799 -1.0912 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 0.1234 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 1.2347 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 -1.4249 2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1491 -0.1172 2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 0.2929 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 0.5649 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4205 1.9782 1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 2.4711 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 3.4538 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 3.7894 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2115 3.0177 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 0.5918 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0452 1.1702 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 1 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 1 0 28 29 1 0 29 30 1 1 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 2 1 0 31 5 1 0 35 5 1 0 29 8 1 0 26 16 1 0 1 36 1 0 1 37 1 0 3 38 1 6 4 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 6 9 45 1 6 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 1 16 50 1 1 18 51 1 1 21 52 1 0 22 53 1 6 23 54 1 0 24 55 1 1 25 56 1 0 26 57 1 6 27 58 1 0 28 59 1 0 28 60 1 0 30 61 1 0 30 62 1 0 30 63 1 0 31 64 1 6 32 65 1 0 32 66 1 0 33 67 1 0 33 68 1 0 34 69 1 1 35 70 1 0 35 71 1 0 M END